Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehyde

Journal of Chemical Physics

Volumn 140, Issue 3, 2014, Pages

  Azofra, Luis Miguel ^a,b   Scheiner, Steve ^b  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^b UTAH STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MOLECULES;

ATOMS IN MOLECULES; ELECTRON DENSITY REDISTRIBUTIONS; ELECTROSTATIC POTENTIALS; ENERGY DECOMPOSITION; INTERACTION ENERGIES; INTERMOLECULAR DISTANCE; NATURAL BOND ORBITAL; THREE-BODY INTERACTION;

DIMERS;

FORMALDEHYDE; SULFUR DIOXIDE; THIOFORMALDEHYDE;

ANALOGS AND DERIVATIVES; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; HYDROGEN BOND; QUANTUM THEORY; STATIC ELECTRICITY; THERMODYNAMICS;

DIMERIZATION; FORMALDEHYDE; HYDROGEN BONDING; MODELS, MOLECULAR; QUANTUM THEORY; STATIC ELECTRICITY; SULFUR DIOXIDE; THERMODYNAMICS;

EID: 84893338021     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4861432     Document Type: Article

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78. See supplementary material at http://dx.doi.org/10.1063/1.4861432 E-JCPSA6-140-016403 for Figures S1-S6 and Tables S1-S5 and also a complete annex with the molecular graphs of the most important complexes.